Cas no 98410-82-3 (Isoquinoline, 4-methyl-7-nitro- (9CI))
98410-82-3 structure
Product Name:Isoquinoline, 4-methyl-7-nitro- (9CI)
CAS No:98410-82-3
MF:C10H8N2O2
MW:188.182722091675
CID:1002503
PubChem ID:20196470
Update Time:2025-04-20
Isoquinoline, 4-methyl-7-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 4-methyl-7-nitro- (9CI)
- SCHEMBL9838085
- IKKCRNBVLZFMHG-UHFFFAOYSA-N
- 4-Methyl-7-nitroisoquinoline
- 98410-82-3
- DB-287677
- Isoquinoline, 4-methyl-7-nitro-
-
- Inchi： 1S/C10H8N2O2/c1-7-5-11-6-8-4-9(12(13)14)2-3-10(7)8/h2-6H,1H3
- InChI Key： IKKCRNBVLZFMHG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C(C)=CN=CC=2C=1)=O
Computed Properties
- Exact Mass: 188.058577502g/mol
- Monoisotopic Mass: 188.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 58.7?2
Isoquinoline, 4-methyl-7-nitro- (9CI) Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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